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Atomistic scale investigation of cation ordering and phase stability in Cs-substituted Ba(1.33)Zn(1.33)Ti(6.67)O(16), Ba(1.33)Ga(2.66)Ti(5.67)O(16) and Ba(1.33)Al(2.66)Ti(5.33)O(16) hollandite
The titanate-based hollandite structure is proposed as an effective ceramic waste form for Cs-immobilization. In this study, quantum-mechanical calculations were used to quantify the impact of A-site and B-site ordering on the structural stability of hollandite with compositions Ba(x)Cs(y)(M(z)Ti(8-...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5864749/ https://www.ncbi.nlm.nih.gov/pubmed/29567965 http://dx.doi.org/10.1038/s41598-018-22982-7 |